2-butan-2-yloxybenzoyl chloride

C11H13ClO2 — CID 134306055

IUPAC2-butan-2-yloxybenzoyl chloride
SMILESCCC(C)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-3-8(2)14-10-7-5-4-6-9(10)11(12)13/h4-8H,3H2,1-2H3
InChIKeyRKEBEBLALYIMGQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.24
Rot. Bonds4

About 2-butan-2-yloxybenzoyl chloride

2-butan-2-yloxybenzoyl chloride (PubChem CID 134306055) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-butan-2-yloxybenzoyl chloride.

Molecular Properties

Compound Name2-butan-2-yloxybenzoyl chloride
PubChem CID134306055
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-butan-2-yloxybenzoyl chloride
SMILESCCC(C)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-3-8(2)14-10-7-5-4-6-9(10)11(12)13/h4-8H,3H2,1-2H3
InChIKeyRKEBEBLALYIMGQ-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxybenzoyl chloride
CID 15921914
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
2-(2-methylbutoxy)benzoyl chloride
CID 139627306
3-butan-2-yloxy-2-methylbenzoic acid
CID 69219357
2-(1-chlorohexoxy)benzoyl chloride
CID 87921380
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
3-butan-2-yloxy-2-nitrobenzoic acid
CID 115541024
1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine
CID 102589146
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
CID 164755077

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxybenzoyl chloride?
The IUPAC name of 2-butan-2-yloxybenzoyl chloride (CID 134306055) is 2-butan-2-yloxybenzoyl chloride.
What is the SMILES notation for 2-butan-2-yloxybenzoyl chloride?
The canonical SMILES for 2-butan-2-yloxybenzoyl chloride is CCC(C)Oc1ccccc1C(=O)Cl.
What is the InChIKey of 2-butan-2-yloxybenzoyl chloride?
The InChIKey is RKEBEBLALYIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-8(2)14-10-7-5-4-6-9(10)11(12)13/h4-8H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxybenzoyl chloride?
2-butan-2-yloxybenzoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxybenzoyl chloride is sourced from PubChem (CID 134306055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).